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ENAMINE-ZINC04387432

 MMsINC code: MMs01539111
Type: Ionized
Formula: C13H12ClN2O4S2-
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccc(S(=O)([O-])=[NH])cc2)cc1
InChI:   InChI=1/C13H12ClN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H-,15,17,18)/q-1

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Potential Energy
Epot(MMFF94)=15.9227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.834 g/mol  logS: -3.97605  SlogP: 2.0565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822016  Sterimol/B1: 3.55808  Sterimol/B2: 3.69324  Sterimol/B3: 4.27056
  Sterimol/B4: 5.81525  Sterimol/L: 16.5195 
 
 Surface and Volume Properties
  Accessible surface: 554.717  Positive charged surface: 202.686  Negative charged surface: 352.031  Volume: 286.75
  Hydrophobic surface: 364.008  Hydrophilic surface: 190.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs01539110
ENAMINE-ZINC04387432